Methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Basic information
- CAS
307324-80-7- Standard SMILES
COC(=O)c1sc2ncn(N)c(=O)c2c1C- InChIKey
WCCLAJTVNIHXKC-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3S
- Average molar mass
- 239.25 g/mol
- Monoisotopic mass
- 239.03646233
Names & identifiers
- Preferred name
- Methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
307324-80-7methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylatemethyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylatemethyl 3-amino-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylatemethyl 3-amino-5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylateMLS001006894CHEMBL1301002DTXSID601331408HMS1756J20HMS2750K03SBB038570AKOS000266823
Show more names
SMR000384382ST50052588AF-399/13278182Z56935885F0745-1134
Database identifiers
- CAS
307324-80-7- PubChem CID
- 722597
- DTXSID
DTXSID601331408- ChEMBL
CHEMBL1301002
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility11.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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